Geometry & MOs

Info

ID:	25958
PubChem CID:	634961
Reduced:	NSO6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	514.420608
ΔH_f, kcal/mol:	-159.3
Dipole, Da:	1.04
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,6a,6b,10,10,12a,14b-octamethyl-9-trimethylsilyloxy-2,4a,5,6,6a,7,8,8a,9,11,12,13,14,14a-tetradecahydro-1H-picen-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)SC)NC(=O)COC=C)O

DOS

IR

Vibrations